REMARK Name = BDB020492 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.499 -1.031 -1.404 0.00 0.00 +0.046 A ATOM 2 C LIG 1 1.762 -0.661 -0.855 0.00 0.00 +0.013 A ATOM 3 C LIG 1 2.943 -1.132 -1.463 0.00 0.00 +0.072 A ATOM 4 N LIG 1 4.168 -0.838 -1.002 0.00 0.00 -0.246 NA ATOM 5 C LIG 1 4.297 -0.061 0.103 0.00 0.00 +0.083 A ATOM 6 C LIG 1 3.209 0.478 0.776 0.00 0.00 +0.044 A ATOM 7 C LIG 1 2.852 -1.941 -2.587 0.00 0.00 +0.031 A ATOM 8 C LIG 1 1.622 -2.303 -3.132 0.00 0.00 +0.041 A ATOM 9 C LIG 1 1.936 0.156 0.284 0.00 0.00 +0.022 A ATOM 10 C LIG 1 0.456 -1.845 -2.539 0.00 0.00 +0.133 A ATOM 11 F LIG 1 -0.716 -2.207 -3.085 0.00 0.00 -0.205 F ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -3.654 -1.032 2.340 0.00 0.00 +0.041 C ATOM 13 C LIG 1 -3.889 -0.840 0.842 0.00 0.00 +0.171 C ATOM 14 N LIG 1 -2.680 -0.403 0.163 0.00 0.00 -0.318 N ATOM 15 C LIG 1 -1.764 -1.315 -0.308 0.00 0.00 +0.064 A ATOM 16 C LIG 1 -0.742 -0.554 -0.825 0.00 0.00 +0.097 A ATOM 17 N LIG 1 -1.038 0.780 -0.704 0.00 0.00 -0.232 NA ATOM 18 C LIG 1 -2.017 -2.763 -0.170 0.00 0.00 +0.163 C ATOM 19 N LIG 1 -3.448 -3.002 -0.322 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -3.851 -4.325 -0.761 0.00 0.00 +0.132 C ATOM 21 C LIG 1 -2.238 0.859 -0.157 0.00 0.00 +0.115 A ATOM 22 C LIG 1 -4.395 -2.157 0.249 0.00 0.00 +0.238 C ATOM 23 O LIG 1 -5.590 -2.451 0.330 0.00 0.00 -0.273 OA BRANCH 21 24 ATOM 24 C LIG 1 -2.972 2.160 0.022 0.00 0.00 +0.060 C ATOM 25 C LIG 1 -3.328 2.492 1.467 0.00 0.00 +0.039 C ATOM 26 C LIG 1 -3.935 3.892 1.553 0.00 0.00 +0.160 C ATOM 27 O LIG 1 -4.648 4.281 0.379 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -5.261 3.191 -0.300 0.00 0.00 +0.160 C ATOM 29 C LIG 1 -4.193 2.283 -0.901 0.00 0.00 +0.039 C ENDBRANCH 21 24 ENDBRANCH 1 16 BRANCH 5 30 ATOM 30 C LIG 1 5.673 0.174 0.497 0.00 0.00 +0.038 A ATOM 31 C LIG 1 6.672 0.548 -0.379 0.00 0.00 +0.118 A ATOM 32 N LIG 1 7.812 0.648 0.361 0.00 0.00 -0.274 N ATOM 33 C LIG 1 9.128 1.003 -0.113 0.00 0.00 +0.172 C ATOM 34 N LIG 1 7.629 0.373 1.665 0.00 0.00 -0.179 NA ATOM 35 C LIG 1 6.334 0.051 1.739 0.00 0.00 +0.144 A ENDBRANCH 5 30 BRANCH 6 36 ATOM 36 C LIG 1 3.354 1.371 1.970 0.00 0.00 +0.374 C ATOM 37 F LIG 1 2.197 2.015 2.304 0.00 0.00 -0.204 F ATOM 38 F LIG 1 3.711 0.682 3.089 0.00 0.00 -0.204 F ENDBRANCH 6 36 TORSDOF 4